EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47068 - (S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-YL]AMINO}[(2,3-DICHLOROPHENYL)AMINO]METHANOL

Default Structure
ChEBI IDCHEBI:47068
ChEBI Name(S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-YL]AMINO}[(2,3-DICHLOROPHENYL)AMINO]METHANOL
Stars
DownloadsMolfile
FormulaC20H24Cl2N4O
Net Charge0
Average Mass407.345
Monoisotopic Mass406.13272
SMILES[H]O[C@@]([H])(N([H])c1c([H])c([H])c([H])c(Cl)c1Cl)N([H])[C@@]1([H])C([H])=C(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])N([H])N1c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C20H24Cl2N4O/c1-20(2,3)16-12-17(26(25-16)13-8-5-4-6-9-13)24-19(27)23-15-11-7-10-14(21)18(15)22/h4-12,17,19,23-25,27H,1-3H3/t17-,19+/m1/s1
InChIKeyBPOWHGBWIMYMNJ-MJGOQNOKSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-YL]AMINO}[(2,3-DICHLOROPHENYL)AMINO]METHANOL (CHEBI:47068) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(S)-{[(3R)-5-tert-butyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-yl]amino}[(2,3-dichlorophenyl)amino]methanolPDBeChem
(S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-YL]AMINO}[(2,3-DICHLOROPHENYL)AMINO]METHANOLPDBeChem
Manual XrefsDatabases
1PPPDBeChem